git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15532 f3b2605a-c512-4ea7-a41b-209d697bcdaa

doc/html/Section_start.html

@@ -389,6 +389,7 @@ within the LAMMPS code.  The options that are currently recogized are:</p>
 <li>-DLAMMPS_BIGBIG</li>
 <li>-DLAMMPS_SMALLSMALL</li>
 <li>-DLAMMPS_LONGLONG_TO_LONG</li>
+<li>-DLAMMPS_EXCEPTIONS</li>
 <li>-DPACK_ARRAY</li>
 <li>-DPACK_POINTER</li>
 <li>-DPACK_MEMCPY</li>
@@ -457,6 +458,13 @@ be compiled with the same setting, or the link will fail.</p>
 MPI version does not recognize &#8220;long long&#8221; data types.  In this case a
 &#8220;long&#8221; data type is likely already 64-bits, in which case this setting
 will convert to that data type.</p>
+<p>The -DLAMMPS_EXCEPTIONS setting can be used to activate alternative
+versions of error handling inside of LAMMPS.  This is useful when
+external codes drive LAMMPS as a library.  Using this option, LAMMPS
+errors do not kill the caller.  Instead, the call stack is unwound and
+control returns to the caller.  The library interface provides the
+lammps_has_error() and lammps_get_last_error_message() functions to
+detect and find out more about a LAMMPS error.</p>
 <p>Using one of the -DPACK_ARRAY, -DPACK_POINTER, and -DPACK_MEMCPY
 options can make for faster parallel FFTs (in the PPPM solver) on some
 platforms.  The -DPACK_ARRAY setting is the default.  See the

doc/src/Section_start.txt

@@ -262,6 +262,7 @@ within the LAMMPS code.  The options that are currently recogized are:
 -DLAMMPS_BIGBIG
 -DLAMMPS_SMALLSMALL
 -DLAMMPS_LONGLONG_TO_LONG
+-DLAMMPS_EXCEPTIONS
 -DPACK_ARRAY
 -DPACK_POINTER
 -DPACK_MEMCPY :ul
@@ -334,6 +335,14 @@ MPI version does not recognize "long long" data types.  In this case a
 "long" data type is likely already 64-bits, in which case this setting
 will convert to that data type.
 
+The -DLAMMPS_EXCEPTIONS setting can be used to activate alternative
+versions of error handling inside of LAMMPS.  This is useful when
+external codes drive LAMMPS as a library.  Using this option, LAMMPS
+errors do not kill the caller.  Instead, the call stack is unwound and
+control returns to the caller.  The library interface provides the
+lammps_has_error() and lammps_get_last_error_message() functions to
+detect and find out more about a LAMMPS error.
+
 Using one of the -DPACK_ARRAY, -DPACK_POINTER, and -DPACK_MEMCPY
 options can make for faster parallel FFTs (in the PPPM solver) on some
 platforms.  The -DPACK_ARRAY setting is the default.  See the

python/lammps.py

@@ -150,6 +150,11 @@ class lammps(object):
     if cmd: cmd = cmd.encode()
     self.lib.lammps_command(self.lmp,cmd)
 
+    if self.lib.lammps_has_error(self.lmp):
+      sb = create_string_buffer(100)
+      self.lib.lammps_get_last_error_message(self.lmp, sb, 100)
+      raise Exception(sb.value.decode().strip())
+
   def extract_global(self,name,type):
     if name: name = name.encode()
     if type == 0: